SCHEMBL6887167

SCHEMBL6887167

C[C@@H](CO)NCC(O)C(Cc1ccccc1)NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
BACE1 P56817 8/20 0.47
SLC6A11 P48066 1/20 0.46
CTSD P07339 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5431126 1.00 BCHE (0.50) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL5435426 1.00 BCHE (0.50) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL5431129 1.00 BCHE (0.50) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL5435423 1.00 BCHE (0.50) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL14636685 0.87 BCHE (0.53) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL14637748 0.87 BCHE (0.53) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL7610959 0.85 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL27592784 0.85 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL7610965 0.85 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL5444846 0.84 BCHE (0.71) BCHEBACE1SLC6A11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed